UCSF

ZINC20383277

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 Yes

Popular Name: N-[3-[(3R,5S)-3,5-dimethyl-1-piperidyl]propyl]-4-(1H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzam N-[3-[(3R,5S)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 11.2 -86.44 4 6 2 76 439.629 8 ↓
Hi High (pH 8-9.5) 3.97 10.37 -69.55 2 6 0 73 437.613 8 ↓
Mid Mid (pH 6-8) 3.97 11.22 -90.32 4 6 2 76 439.629 8 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )